N-(1H-1,3-benzodiazol-2-yl)-2-(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 218471
• Molecular Formular: C19H15N3O5
• Molecular Mass: 365.3395
• Monoisotopic Mass: 365.1011706
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)O)O)CC(=O)Nc1nc2c([nH]1)cccc2)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)O)Nc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C19H15N3O5/c1-9-11(18(26)27-15-7-10(23)6-14(24)17(9)15)8-16(25)22-19-20-12-4-2-3-5-13(12)21-19/h2-7,23-24H,8H2,1H3,(H2,20,21,22,25)
• InChIKey: DRCPJDGTOOSAPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-1,3-benzodiazol-2-yl)-2-(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-(1H-1,3-benzodiazol-2-yl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164274381
• PubChem CID: 16408433

CALCULATED PROPERTIES

• Acid pKa: 7.3959403
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 2.3943892
• LogD (pH = 7.4): 2.089621
• Log P: 2.400311
• Molar Refractivity: 97.077 cm^3
• Polarizability: 37.56116 Å^3
• Polar Surface Area: 124.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds